Related Experiment Video
Updated: May 20, 2025
Systematic Approach to Identify Novel Antimicrobial and Antibiofilm Molecules from Plants' Extracts and Fractions to Prevent Dental Caries
Published on: March 31, 2021
Targeted isolation of isopentenyl flavonoids from Daphne giraldii Nitsche based on feature-based molecular networking
Fu-Xin Hu1, Ben-Song Xin1, Gu-Xue Zhang1
1Key Laboratory of Computational Chemistry-Based Natural Antitumor Drug Research & Development, Liaoning Province; Engineering Research Center of Natural Medicine Active Molecule Research & Development, Liaoning Province; Key Laboratory of Natural Bioactive Compounds Discovery & Modification, Shenyang; School of Traditional Chinese Materia Medica, Shenyang Pharmaceutical University, Shenyang, Liaoning 110016, China.
Abstract:
Isopentenyl flavonoids were important chemical components in Daphne giraldii Nitsche with significant cytotoxic activities against hepatocellular carcinoma cells in previous study. In this study, Feature-Based Molecular Networking was utilized to perform the targeted isolation of the phytochemical investigation of D. giraldii. As a result, five undescribed isopentenyl flavonoids (1, 2a/2b, 3, and 4) were isolated from D. giraldii. Their structures and configurations were established by comprehensive spectral analysis and comparing experimental ECD and calculated data. In addition, all isolated compounds were evaluated for cytotoxic activities against hepatocellular carcinoma HepG2 and Hep3B cell lines. Specifically, compound 2 exhibited significant cytotoxic activities with IC50 values of 11.63 ± 0.22 μM and 0.10 ± 0.02 μM, respectively.
